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BDBM50440210 CHEMBL2426655

SMILES: CC(C)Cn1ncc2cc(ccc12)C(c1ccccc1)C(C)(C)C(=O)Nc1nncs1

InChI Key: InChIKey=YYYPJKKPSYEOMG-UHFFFAOYSA-N

Data: 1 KI  3 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50440210   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50440210
PNG
(CHEMBL2426655)
Show SMILES CC(C)Cn1ncc2cc(ccc12)C(c1ccccc1)C(C)(C)C(=O)Nc1nncs1
Show InChI InChI=1S/C24H27N5OS/c1-16(2)14-29-20-11-10-18(12-19(20)13-26-29)21(17-8-6-5-7-9-17)24(3,4)22(30)27-23-28-25-15-31-23/h5-13,15-16,21H,14H2,1-4H3,(H,27,28,30)
PDB

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PC cid
PC sid
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Article
PubMed
19n/an/an/an/an/an/an/an/a



Ironwood Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 23: 5442-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.089
BindingDB Entry DOI: 10.7270/Q29888FB
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50440210
PNG
(CHEMBL2426655)
Show SMILES CC(C)Cn1ncc2cc(ccc12)C(c1ccccc1)C(C)(C)C(=O)Nc1nncs1
Show InChI InChI=1S/C24H27N5OS/c1-16(2)14-29-20-11-10-18(12-19(20)13-26-29)21(17-8-6-5-7-9-17)24(3,4)22(30)27-23-28-25-15-31-23/h5-13,15-16,21H,14H2,1-4H3,(H,27,28,30)
PDB

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Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Ironwood Pharmaceuticals

Curated by ChEMBL


Assay Description
Transactivation of glucocorticoid receptor ligand binding domain (unknown origin) transfected in human HeLa cells assessed as activation of NP-1 by G...


Bioorg Med Chem Lett 23: 5442-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.089
BindingDB Entry DOI: 10.7270/Q29888FB
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50440210
PNG
(CHEMBL2426655)
Show SMILES CC(C)Cn1ncc2cc(ccc12)C(c1ccccc1)C(C)(C)C(=O)Nc1nncs1
Show InChI InChI=1S/C24H27N5OS/c1-16(2)14-29-20-11-10-18(12-19(20)13-26-29)21(17-8-6-5-7-9-17)24(3,4)22(30)27-23-28-25-15-31-23/h5-13,15-16,21H,14H2,1-4H3,(H,27,28,30)
PDB

KEGG

UniProtKB/SwissProt
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antibodypedia
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PC cid
PC sid
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Article
PubMed
n/an/an/an/a 1.82E+3n/an/an/an/a



Ironwood Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells assessed as inhibition of IL-1beta-induced NF-kappaB dependent E-selectin activation ...


Bioorg Med Chem Lett 23: 5442-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.089
BindingDB Entry DOI: 10.7270/Q29888FB
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50440210
PNG
(CHEMBL2426655)
Show SMILES CC(C)Cn1ncc2cc(ccc12)C(c1ccccc1)C(C)(C)C(=O)Nc1nncs1
Show InChI InChI=1S/C24H27N5OS/c1-16(2)14-29-20-11-10-18(12-19(20)13-26-29)21(17-8-6-5-7-9-17)24(3,4)22(30)27-23-28-25-15-31-23/h5-13,15-16,21H,14H2,1-4H3,(H,27,28,30)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 114n/an/an/an/a



Ironwood Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells assessed as inhibition of PMA-induced AP-1 activation by luciferase reporter gene ass...


Bioorg Med Chem Lett 23: 5442-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.089
BindingDB Entry DOI: 10.7270/Q29888FB
More data for this
Ligand-Target Pair